Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP12 | P39900 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL958300 | 0.81 | AGXT (0.64) | AGXTCA1CA2CA9IDO1 | |
| SCHEMBL375008 | 0.80 | TSHR (0.48) | AGXTCA1CA2CA9IDO1 | |
| SCHEMBL28526310 | 0.79 | IDO1 (0.53) | AGXTCA1CA2CA9IDO1 | |
| SCHEMBL28260934 | 0.78 | IDO1 (0.52) | AGXTCA1CA2CA9IDO1 | |
| SCHEMBL13497350 | 0.78 | IDO1 (0.55) | IDO1MAOBNPC1RAB9AHRH3 | |
| SCHEMBL7935343 | 0.77 | AGXT (0.54) | AGXTCA1CA2CA9IDO1 | |
| SCHEMBL5490662 | 0.75 | RXRA (0.54) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28267539 | 0.73 | LMNA (0.55) | AGXTCA1CA2CA9IDO1 | |
| SCHEMBL13057594 | 0.73 | ACHE (0.62) | AGXTCA1CA2CA9IDO1 | |
| SCHEMBL7565329 | 0.72 | AGXT (0.48) | AGXTCA1CA2CA9IDO1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4120862-A | Use of copper halide catalysts and certain epoxy compounds to oxidize nitro-substituted Schiff bases to benzoxazoles | THE DOW CHEMICAL COMPANY (US) | 1978-10-17 | — | — | US | disclosed |